N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide

C13H19N5O — CID 138992861

IUPACN-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)cn1
InChIInChI=1S/C13H19N5O/c1-13(2,3)18-9-11(7-15-18)16-12(19)5-10-6-14-17(4)8-10/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyHZCKVAJDNJSETE-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.55
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide

N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 138992861) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID138992861
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)cn1
InChIInChI=1S/C13H19N5O/c1-13(2,3)18-9-11(7-15-18)16-12(19)5-10-6-14-17(4)8-10/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyHZCKVAJDNJSETE-UHFFFAOYSA-N
XLogP1.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 86860471
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1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
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methyl 2-(1-tert-butylpyrazol-4-yl)acetate
CID 89006356
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N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
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3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
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CID 86861977
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CID 130716283
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CID 155981643

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 138992861) is N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is HZCKVAJDNJSETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-13(2,3)18-9-11(7-15-18)16-12(19)5-10-6-14-17(4)8-10/h6-9H,5H2,1-4H3,(H,16,19).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 261.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 138992861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).